N-[2,5-dimethoxy-4-[(3-methylphenyl)carbamothioylamino]phenyl]butanamide

Systemtic Name: N-[2,5-dimethoxy-4-[(3-methylphenyl)carbamothioylamino]phenyl]butanamide Openeye Name: N-[2,5-dimethoxy-4-(m-tolylcarbamothioylamino)phenyl]butanamide CAS Name: N-[2,5-dimethoxy-4-[[(3-methylanilino)-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[2,5-dimethoxy-4-[(3-methylphenyl)carbamothioylamino]phenyl]butanamide Traditional Name: N-[2,5-dimethoxy-4-(m-tolylthiocarbamoylamino)phenyl]butyramide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1OC)NC(=S)NC2=CC=CC(=C2)C)OC

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1OC)NC(=S)NC2=CC=CC(=C2)C)OC

InChI

InChI=1S/C20H25N3O3S/c1-5-7-19(24)22-15-11-18(26-4)16(12-17(15)25-3)23-20(27)21-14-9-6-8-13(2)10-14/h6,8-12H,5,7H2,1-4H3,(H,22,24)(H2,21,23,27)